3-(2-iodophenyl)-2-methyl-N-propylcyclobutan-1-amine

C14H20IN — CID 81418416

IUPAC3-(2-iodophenyl)-2-methyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(c2ccccc2I)C1C
InChIInChI=1S/C14H20IN/c1-3-8-16-14-9-12(10(14)2)11-6-4-5-7-13(11)15/h4-7,10,12,14,16H,3,8-9H2,1-2H3
InChIKeyPSGJUHJGCIGXFV-UHFFFAOYSA-N
MW329.23 g/mol
LogP3.78
Rot. Bonds4

About 3-(2-iodophenyl)-2-methyl-N-propylcyclobutan-1-amine

3-(2-iodophenyl)-2-methyl-N-propylcyclobutan-1-amine (PubChem CID 81418416) has the molecular formula C14H20IN and a molecular weight of 329.23 g/mol. Its IUPAC name is 3-(2-iodophenyl)-2-methyl-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-iodophenyl)-2-methyl-N-propylcyclobutan-1-amine
PubChem CID81418416
Molecular FormulaC14H20IN
Molecular Weight329.23 g/mol
Exact Mass329.06
IUPAC Name3-(2-iodophenyl)-2-methyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(c2ccccc2I)C1C
InChIInChI=1S/C14H20IN/c1-3-8-16-14-9-12(10(14)2)11-6-4-5-7-13(11)15/h4-7,10,12,14,16H,3,8-9H2,1-2H3
InChIKeyPSGJUHJGCIGXFV-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-phenyl-N-propylcyclobutan-1-amine
CID 81417285
3-(2,5-dichlorophenyl)-2-methyl-N-propylcyclobutan-1-amine
CID 81417802
3-(5-bromothiophen-2-yl)-2-methyl-N-propylcyclobutan-1-amine
CID 81418012
2-(2-cyclobutylphenyl)-N-propylcyclopentan-1-amine
CID 114605846
2-ethyl-N-propyl-3-pyridin-2-ylcyclobutan-1-amine
CID 81417467
2-methyl-N-propyl-3-quinolin-5-ylcyclopentan-1-amine
CID 81221949
3-(3-fluoro-4-pyridinyl)-2-methyl-N-propylcyclopentan-1-amine
CID 104739065
3-(4-fluorophenyl)-2-methyl-N-propylcyclopentan-1-amine
CID 64909010
1-(aminomethyl)-N-propyl-2,3-dihydro-1H-inden-2-amine
CID 141206347
3-(4-chlorophenyl)-2-methyl-N-propylcyclopentan-1-amine
CID 64908355
2-phenyl-N-propylcyclohexan-1-amine
CID 43755016
2-methyl-N,3-dipropyl-2,3-dihydro-1H-inden-1-amine
CID 79726205

Frequently Asked Questions

What is the IUPAC name of 3-(2-iodophenyl)-2-methyl-N-propylcyclobutan-1-amine?
The IUPAC name of 3-(2-iodophenyl)-2-methyl-N-propylcyclobutan-1-amine (CID 81418416) is 3-(2-iodophenyl)-2-methyl-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-(2-iodophenyl)-2-methyl-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-(2-iodophenyl)-2-methyl-N-propylcyclobutan-1-amine is CCCNC1CC(c2ccccc2I)C1C.
What is the InChIKey of 3-(2-iodophenyl)-2-methyl-N-propylcyclobutan-1-amine?
The InChIKey is PSGJUHJGCIGXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20IN/c1-3-8-16-14-9-12(10(14)2)11-6-4-5-7-13(11)15/h4-7,10,12,14,16H,3,8-9H2,1-2H3.
What are the key properties of 3-(2-iodophenyl)-2-methyl-N-propylcyclobutan-1-amine?
3-(2-iodophenyl)-2-methyl-N-propylcyclobutan-1-amine has a molecular weight of 329.23 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-iodophenyl)-2-methyl-N-propylcyclobutan-1-amine is sourced from PubChem (CID 81418416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).